N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide

C17H15FN4O3S — CID 53160891

IUPACN-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2ncccc2-c2noc(C)n2)cc1F
InChIInChI=1S/C17H15FN4O3S/c1-10-20-16(22-25-10)12-4-3-7-19-17(12)26-9-15(23)21-11-5-6-14(24-2)13(18)8-11/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyFYZLMPCQVMBVFN-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.32
Rot. Bonds6

About N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide

N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53160891) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53160891
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSc2ncccc2-c2noc(C)n2)cc1F
InChIInChI=1S/C17H15FN4O3S/c1-10-20-16(22-25-10)12-4-3-7-19-17(12)26-9-15(23)21-11-5-6-14(24-2)13(18)8-11/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyFYZLMPCQVMBVFN-UHFFFAOYSA-N
XLogP3.32
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

N-ethyl-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53160899
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-N-(2-methylpropyl)acetamide
CID 53160901
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55732569
2-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 113427666
N-(2,5-difluorophenyl)-2-[[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]sulfanyl]acetamide
CID 50847443
2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]-1-(4-pentan-3-ylpiperazin-1-yl)ethanone
CID 53160929
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 53173071
N-(3,4-dimethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110423166
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]acetamide
CID 46693870
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 51319417
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208585
N-(3,4-dimethoxyphenyl)-2-(3-phenoxypyrazin-2-yl)sulfanylacetamide
CID 53130093

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53160891) is N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide is COc1ccc(NC(=O)CSc2ncccc2-c2noc(C)n2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is FYZLMPCQVMBVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-10-20-16(22-25-10)12-4-3-7-19-17(12)26-9-15(23)21-11-5-6-14(24-2)13(18)8-11/h3-8H,9H2,1-2H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide?
N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53160891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).